2 % bibliography database
6 author = "Paul Erhart and Karsten Albe",
7 title = "Analytical potential for atomistic simulations of
8 silicon, carbon, and silicon carbide",
11 journal = "Phys. Rev. B",
17 notes = "alble reparametrization, analytical bond oder
19 keywords = "silicon; elemental semiconductors; carbon; silicon
20 compounds; wide band gap semiconductors; elasticity;
21 enthalpy; point defects; crystallographic shear; atomic
23 URL = "http://link.aps.org/abstract/PRB/v71/e035211",
24 doi = "10.1103/PhysRevB.71.035211",
28 title = "Modeling the metal-semiconductor interaction:
29 Analytical bond-order potential for platinum-carbon",
30 author = "Karsten Albe and Kai Nordlund and Robert S. Averback",
31 journal = "Phys. Rev. B",
38 doi = "10.1103/PhysRevB.65.195124",
39 publisher = "American Physical Society",
40 notes = "derivation of albe bond order formalism",
44 title = "The solubility of carbon in pulled silicon crystals",
45 journal = "Journal of Physics and Chemistry of Solids",
52 doi = "DOI: 10.1016/S0022-3697(71)80179-8",
53 URL = "http://www.sciencedirect.com/science/article/B6TXR-4PR80SS-D/2/ce21d10d2bb885b5641905883a618ff5",
54 author = "A. R. Bean and R. C. Newman",
55 notes = "experimental solubility data of carbon in silicon",
59 author = "M. A. Capano and R. J. Trew",
60 title = "Silicon Carbide Electronic Materials and Devices",
61 journal = "MRS Bull.",
68 author = "G. R. Fisher and P. Barnes",
69 title = "Towards a unified view of polytypism in silicon
71 journal = "Philosophical Magazine Part B",
75 notes = "sic polytypes",
79 author = "R. K{\"{o}}gler and F. Eichhorn and J. R. Kaschny and
80 A. M{\"{u}}cklich and H. Reuther and W. Skorupa and C.
81 Serre and A. Perez-Rodriguez",
82 title = "Synthesis of nano-sized Si{C} precipitates in Si by
83 simultaneous dual-beam implantation of {C}+ and Si+
85 journal = "Applied Physics A: Materials Science \& Processing",
90 notes = "dual implantation, sic prec enhanced by vacancies,
91 precipitation by interstitial and substitutional
92 carbon, both mechanisms explained + refs",
96 author = "P. S. de Laplace",
97 title = "Th\'eorie analytique des probabilit\'es",
98 series = "Oeuvres Compl\`etes de Laplace",
100 publisher = "Gauthier-Villars",
104 @Article{mattoni2007,
105 author = "A. {Mattoni} and M. {Ippolito} and L. {Colombo}",
106 title = "{Atomistic modeling of brittleness in covalent
108 journal = "Phys. Rev. B",
114 doi = "10.1103/PhysRevB.76.224103",
115 notes = "adopted tersoff potential for Si, C, Ge ad SiC;
116 longe(r)-range-interactions, brittle propagation of
117 fracture, more available potentials, universal energy
118 relation (uer), minimum range model (mrm)",
122 title = "Comparative study of silicon empirical interatomic
124 author = "H. Balamane and T. Halicioglu and W. A. Tiller",
125 journal = "Phys. Rev. B",
128 pages = "2250--2279",
132 doi = "10.1103/PhysRevB.46.2250",
133 publisher = "American Physical Society",
134 notes = "comparison of classical potentials for si",
138 title = "Stress relaxation in $a-Si$ induced by ion
140 author = "H. M. Urbassek M. Koster",
141 journal = "Phys. Rev. B",
144 pages = "11219--11224",
148 doi = "10.1103/PhysRevB.62.11219",
149 publisher = "American Physical Society",
150 notes = "virial derivation for 3-body tersoff potential",
153 @Article{breadmore99,
154 title = "Direct simulation of ion-beam-induced stressing and
155 amorphization of silicon",
156 author = "N. Gr\o{}nbech-Jensen K. M. Beardmore",
157 journal = "Phys. Rev. B",
160 pages = "12610--12616",
164 doi = "10.1103/PhysRevB.60.12610",
165 publisher = "American Physical Society",
166 notes = "virial derivation for 3-body tersoff potential",
170 author = "Henri Moissan",
171 title = "Nouvelles recherches sur la météorité de Cañon
173 journal = "Comptes rendus de l'Académie des Sciences",
180 author = "Y. S. Park",
181 title = "Si{C} Materials and Devices",
182 publisher = "Academic Press",
183 address = "San Diego",
188 author = "Valeri F. Tsvetkov and R. C. Glass and D. Henshall and
189 Calvin H. Carter Jr. and D. Asbury",
190 title = "Si{C} Seeded Boule Growth",
191 journal = "Materials Science Forum",
195 notes = "modified lely process, micropipes",
199 title = "Computer {"}Experiments{"} on Classical Fluids. {I}.
200 Thermodynamical Properties of Lennard-Jones Molecules",
201 author = "Loup Verlet",
202 journal = "Phys. Rev.",
208 doi = "10.1103/PhysRev.159.98",
209 publisher = "American Physical Society",
210 notes = "velocity verlet integration algorithm equation of
214 @Article{berendsen84,
215 author = "H. J. C. Berendsen and J. P. M. Postma and W. F. van
216 Gunsteren and A. DiNola and J. R. Haak",
218 title = "Molecular dynamics with coupling to an external bath",
221 journal = "The Journal of Chemical Physics",
224 pages = "3684--3690",
225 keywords = "MOLECULAR DYNAMICS CALCULATION; TRANSPORT THEORY;
226 COMPUTERIZED SIMULATION; LIQUIDS; STRUCTURE FACTORS",
227 URL = "http://link.aip.org/link/?JCP/81/3684/1",
228 doi = "10.1063/1.448118",
229 notes = "berendsen thermostat barostat",
233 author = "Hanchen Huang and N M Ghoniem and J K Wong and M
235 title = "Molecular dynamics determination of defect energetics
236 in beta -Si{C} using three representative empirical
238 journal = "Modelling and Simulation in Materials Science and
243 URL = "http://stacks.iop.org/0965-0393/3/615",
244 notes = "comparison of tersoff, pearson and eam for defect
245 energetics in sic; (m)eam parameters for sic",
250 title = "Relationship between the embedded-atom method and
252 author = "Donald W. Brenner",
253 journal = "Phys. Rev. Lett.",
260 doi = "10.1103/PhysRevLett.63.1022",
261 publisher = "American Physical Society",
262 notes = "relation of tersoff and eam potential",
266 title = "Molecular-dynamics study of self-interstitials in
268 author = "Inder P. Batra and Farid F. Abraham and S. Ciraci",
269 journal = "Phys. Rev. B",
272 pages = "9552--9558",
276 doi = "10.1103/PhysRevB.35.9552",
277 publisher = "American Physical Society",
278 notes = "selft-interstitials in silicon, stillinger-weber,
279 calculation of defect formation energy, defect
284 title = "Extended interstitials in silicon and germanium",
285 author = "H. R. Schober",
286 journal = "Phys. Rev. B",
289 pages = "13013--13015",
293 doi = "10.1103/PhysRevB.39.13013",
294 publisher = "American Physical Society",
295 notes = "stillinger-weber silicon 110 stable and metastable
296 dumbbell configuration",
300 title = "Cascade overlap and amorphization in $3{C}-Si{C}:$
301 Defect accumulation, topological features, and
303 author = "F. Gao and W. J. Weber",
304 journal = "Phys. Rev. B",
311 doi = "10.1103/PhysRevB.66.024106",
312 publisher = "American Physical Society",
313 notes = "sic intro, si cascade in 3c-sic, amorphization,
314 tersoff modified, pair correlation of amorphous sic, md
318 @Article{devanathan98,
319 title = "Computer simulation of a 10 ke{V} Si displacement
321 journal = "Nuclear Instruments and Methods in Physics Research
322 Section B: Beam Interactions with Materials and Atoms",
328 doi = "DOI: 10.1016/S0168-583X(98)00084-6",
329 author = "R. Devanathan and W. J. Weber and T. Diaz de la
331 notes = "modified tersoff short range potential, ab initio
335 @Article{devanathan98_2,
336 title = "Displacement threshold energies in [beta]-Si{C}",
337 journal = "Journal of Nuclear Materials",
343 doi = "DOI: 10.1016/S0022-3115(97)00304-8",
344 author = "R. Devanathan and T. Diaz de la Rubia and W. J.
346 notes = "modified tersoff, ab initio, combined ab initio
350 @Article{kitabatake00,
351 title = "Si{C}/Si heteroepitaxial growth",
352 author = "M. Kitabatake",
353 journal = "Thin Solid Films",
358 notes = "md simulation, sic si heteroepitaxy, mbe",
362 title = "Intrinsic point defects in crystalline silicon:
363 Tight-binding molecular dynamics studies of
364 self-diffusion, interstitial-vacancy recombination, and
366 author = "M. Tang and L. Colombo and J. Zhu and T. Diaz de la
368 journal = "Phys. Rev. B",
371 pages = "14279--14289",
375 doi = "10.1103/PhysRevB.55.14279",
376 publisher = "American Physical Society",
377 notes = "si self interstitial, diffusion, tbmd",
381 author = "M. D. Johnson and M.-J. Caturla and T. D\'{\i}az de la
384 title = "A kinetic Monte--Carlo study of the effective
385 diffusivity of the silicon self-interstitial in the
386 presence of carbon and boron",
389 journal = "Journal of Applied Physics",
392 pages = "1963--1967",
393 keywords = "MONTE CARLO METHOD; DIFFUSION; SILICON; INTERSTITIALS;
394 CARBON ADDITIONS; BORON ADDITIONS; elemental
395 semiconductors; self-diffusion",
396 URL = "http://link.aip.org/link/?JAP/84/1963/1",
397 doi = "10.1063/1.368328",
398 notes = "kinetic monte carlo of si self interstitial
403 title = "Barrier to Migration of the Silicon
405 author = "Y. Bar-Yam and J. D. Joannopoulos",
406 journal = "Phys. Rev. Lett.",
409 pages = "1129--1132",
413 doi = "10.1103/PhysRevLett.52.1129",
414 publisher = "American Physical Society",
415 notes = "si self-interstitial migration barrier",
418 @Article{bar-yam84_2,
419 title = "Electronic structure and total-energy migration
420 barriers of silicon self-interstitials",
421 author = "Y. Bar-Yam and J. D. Joannopoulos",
422 journal = "Phys. Rev. B",
425 pages = "1844--1852",
429 doi = "10.1103/PhysRevB.30.1844",
430 publisher = "American Physical Society",
434 title = "First-principles calculations of self-diffusion
435 constants in silicon",
436 author = "Peter E. Bl{\"o}chl and Enrico Smargiassi and R. Car
437 and D. B. Laks and W. Andreoni and S. T. Pantelides",
438 journal = "Phys. Rev. Lett.",
441 pages = "2435--2438",
445 doi = "10.1103/PhysRevLett.70.2435",
446 publisher = "American Physical Society",
447 notes = "si self int diffusion by ab initio md, formation
448 entropy calculations",
452 title = "Tight-binding theory of native point defects in
454 author = "L. Colombo",
455 journal = "Annu. Rev. Mater. Res.",
460 doi = "10.1146/annurev.matsci.32.111601.103036",
461 publisher = "Annual Reviews",
462 notes = "si self interstitial, tbmd, virial stress",
465 @Article{al-mushadani03,
466 title = "Free-energy calculations of intrinsic point defects in
468 author = "O. K. Al-Mushadani and R. J. Needs",
469 journal = "Phys. Rev. B",
476 doi = "10.1103/PhysRevB.68.235205",
477 publisher = "American Physical Society",
478 notes = "formation energies of intrinisc point defects in
479 silicon, si self interstitials, free energy",
482 @Article{goedecker02,
483 title = "A Fourfold Coordinated Point Defect in Silicon",
484 author = "Stefan Goedecker and Thierry Deutsch and Luc Billard",
485 journal = "Phys. Rev. Lett.",
492 doi = "10.1103/PhysRevLett.88.235501",
493 publisher = "American Physical Society",
494 notes = "first time ffcd, fourfold coordinated point defect in
499 title = "Ab initio molecular dynamics simulation of
500 self-interstitial diffusion in silicon",
501 author = "Beat Sahli and Wolfgang Fichtner",
502 journal = "Phys. Rev. B",
509 doi = "10.1103/PhysRevB.72.245210",
510 publisher = "American Physical Society",
511 notes = "si self int, diffusion, barrier height, voronoi
516 title = "Ab initio calculations of the interaction between
517 native point defects in silicon",
518 journal = "Materials Science and Engineering: B",
523 note = "EMRS 2005, Symposium D - Materials Science and Device
524 Issues for Future Technologies",
526 doi = "DOI: 10.1016/j.mseb.2005.08.072",
527 URL = "http://www.sciencedirect.com/science/article/B6TXF-4H6PKRB-3/2/e217bd3d7ee1fffee899eeb4a2f133a4",
528 author = "G. Hobler and G. Kresse",
529 notes = "vasp intrinsic si defect interaction study, capture
534 title = "Ab initio study of self-diffusion in silicon over a
535 wide temperature range: Point defect states and
536 migration mechanisms",
537 author = "Shangyi Ma and Shaoqing Wang",
538 journal = "Phys. Rev. B",
545 doi = "10.1103/PhysRevB.81.193203",
546 publisher = "American Physical Society",
547 notes = "si self interstitial diffusion + refs",
551 title = "Atomistic simulations on the thermal stability of the
552 antisite pair in 3{C}- and 4{H}-Si{C}",
553 author = "M. Posselt and F. Gao and W. J. Weber",
554 journal = "Phys. Rev. B",
561 doi = "10.1103/PhysRevB.73.125206",
562 publisher = "American Physical Society",
566 title = "Correlation between self-diffusion in Si and the
567 migration mechanisms of vacancies and
568 self-interstitials: An atomistic study",
569 author = "M. Posselt and F. Gao and H. Bracht",
570 journal = "Phys. Rev. B",
577 doi = "10.1103/PhysRevB.78.035208",
578 publisher = "American Physical Society",
579 notes = "si self-interstitial and vacancy diffusion, stillinger
584 title = "Ab initio and empirical-potential studies of defect
585 properties in $3{C}-Si{C}$",
586 author = "F. Gao and E. J. Bylaska and W. J. Weber and L. R.
588 journal = "Phys. Rev. B",
595 doi = "10.1103/PhysRevB.64.245208",
596 publisher = "American Physical Society",
597 notes = "defects in 3c-sic",
601 title = "Empirical potential approach for defect properties in
603 journal = "Nuclear Instruments and Methods in Physics Research
604 Section B: Beam Interactions with Materials and Atoms",
611 doi = "DOI: 10.1016/S0168-583X(02)00600-6",
612 URL = "http://www.sciencedirect.com/science/article/B6TJN-453NR6B-G/2/e65b0730e94e13d66f72a2147b449ea7",
613 author = "Fei Gao and William J. Weber",
614 keywords = "Empirical potential",
615 keywords = "Defect properties",
616 keywords = "Silicon carbide",
617 keywords = "Computer simulation",
618 notes = "sic potential, brenner type, like erhart/albe",
622 title = "Atomistic study of intrinsic defect migration in
624 author = "Fei Gao and William J. Weber and M. Posselt and V.
626 journal = "Phys. Rev. B",
633 doi = "10.1103/PhysRevB.69.245205",
634 publisher = "American Physical Society",
635 notes = "defect migration in sic",
639 author = "F. Gao and J. Du and E. J. Bylaska and M. Posselt and
642 title = "Ab Initio atomic simulations of antisite pair recovery
643 in cubic silicon carbide",
646 journal = "Applied Physics Letters",
652 keywords = "ab initio calculations; silicon compounds; antisite
653 defects; wide band gap semiconductors; molecular
654 dynamics method; density functional theory;
655 electron-hole recombination; photoluminescence;
656 impurities; diffusion",
657 URL = "http://link.aip.org/link/?APL/90/221915/1",
658 doi = "10.1063/1.2743751",
661 @Article{mattoni2002,
662 title = "Self-interstitial trapping by carbon complexes in
663 crystalline silicon",
664 author = "A. Mattoni and F. Bernardini and L. Colombo",
665 journal = "Phys. Rev. B",
672 doi = "10.1103/PhysRevB.66.195214",
673 publisher = "American Physical Society",
674 notes = "c in c-si, diffusion, interstitial configuration +
675 links, interaction of carbon and silicon interstitials,
676 tersoff suitability",
680 title = "Calculations of Silicon Self-Interstitial Defects",
681 author = "W.-K. Leung and R. J. Needs and G. Rajagopal and S.
683 journal = "Phys. Rev. Lett.",
686 pages = "2351--2354",
690 doi = "10.1103/PhysRevLett.83.2351",
691 publisher = "American Physical Society",
692 notes = "nice images of the defects, si defect overview +
697 title = "Identification of the migration path of interstitial
699 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
700 journal = "Phys. Rev. B",
703 pages = "7439--7442",
707 doi = "10.1103/PhysRevB.50.7439",
708 publisher = "American Physical Society",
709 notes = "carbon interstitial migration path shown, 001 c-si
714 title = "Theory of carbon-carbon pairs in silicon",
715 author = "R. B. Capaz and A. {Dal Pino} and J. D. Joannopoulos",
716 journal = "Phys. Rev. B",
719 pages = "9845--9850",
723 doi = "10.1103/PhysRevB.58.9845",
724 publisher = "American Physical Society",
725 notes = "c_i c_s pair configuration, theoretical results",
729 title = "Bistable interstitial-carbon--substitutional-carbon
731 author = "L. W. Song and X. D. Zhan and B. W. Benson and G. D.
733 journal = "Phys. Rev. B",
736 pages = "5765--5783",
740 doi = "10.1103/PhysRevB.42.5765",
741 publisher = "American Physical Society",
742 notes = "c_i c_s pair configuration, experimental results",
746 author = "Chun-Li Liu and Wolfgang Windl and Len Borucki and
747 Shifeng Lu and Xiang-Yang Liu",
749 title = "Ab initio modeling and experimental study of {C}--{B}
753 journal = "Applied Physics Letters",
757 keywords = "silicon; boron; carbon; elemental semiconductors;
758 impurity-defect interactions; ab initio calculations;
759 secondary ion mass spectra; diffusion; interstitials",
760 URL = "http://link.aip.org/link/?APL/80/52/1",
761 doi = "10.1063/1.1430505",
762 notes = "c-c 100 split, lower as a and b states of capaz",
766 title = "Ab initio investigation of carbon-related defects in
768 author = "A. {Dal Pino} and Andrew M. Rappe and J. D.
770 journal = "Phys. Rev. B",
773 pages = "12554--12557",
777 doi = "10.1103/PhysRevB.47.12554",
778 publisher = "American Physical Society",
779 notes = "c interstitials in crystalline silicon",
783 title = "Microscopic Theory of Atomic Diffusion Mechanisms in
785 author = "Roberto Car and Paul J. Kelly and Atsushi Oshiyama and
786 Sokrates T. Pantelides",
787 journal = "Phys. Rev. Lett.",
790 pages = "1814--1817",
794 doi = "10.1103/PhysRevLett.52.1814",
795 publisher = "American Physical Society",
796 notes = "microscopic theory diffusion silicon dft migration
801 title = "Unified Approach for Molecular Dynamics and
802 Density-Functional Theory",
803 author = "R. Car and M. Parrinello",
804 journal = "Phys. Rev. Lett.",
807 pages = "2471--2474",
811 doi = "10.1103/PhysRevLett.55.2471",
812 publisher = "American Physical Society",
813 notes = "car parrinello method, dft and md",
817 title = "Short-range order, bulk moduli, and physical trends in
818 c-$Si1-x$$Cx$ alloys",
819 author = "P. C. Kelires",
820 journal = "Phys. Rev. B",
823 pages = "8784--8787",
827 doi = "10.1103/PhysRevB.55.8784",
828 publisher = "American Physical Society",
829 notes = "c strained si, montecarlo md, bulk moduli, next
834 title = "Monte Carlo Studies of Ternary Semiconductor Alloys:
835 Application to the $Si1-x-yGexCy$ System",
836 author = "P. C. Kelires",
837 journal = "Phys. Rev. Lett.",
840 pages = "1114--1117",
844 doi = "10.1103/PhysRevLett.75.1114",
845 publisher = "American Physical Society",
846 notes = "mc md, strain compensation in si ge by c insertion",
850 title = "Low temperature electron irradiation of silicon
852 journal = "Solid State Communications",
859 doi = "DOI: 10.1016/0038-1098(70)90074-8",
860 URL = "http://www.sciencedirect.com/science/article/B6TVW-46MF8S4-156/2/5f4d9c189a3d97227fde9214195aa081",
861 author = "A. R. Bean and R. C. Newman",
865 title = "{EPR} Observation of the Isolated Interstitial Carbon
867 author = "G. D. Watkins and K. L. Brower",
868 journal = "Phys. Rev. Lett.",
871 pages = "1329--1332",
875 doi = "10.1103/PhysRevLett.36.1329",
876 publisher = "American Physical Society",
877 notes = "epr observations of 100 interstitial carbon atom in
882 title = "{EPR} identification of the single-acceptor state of
883 interstitial carbon in silicon",
884 author = "L. W. Song and G. D. Watkins",
885 journal = "Phys. Rev. B",
888 pages = "5759--5764",
892 doi = "10.1103/PhysRevB.42.5759",
893 publisher = "American Physical Society",
894 notes = "carbon diffusion in silicon",
898 author = "A K Tipping and R C Newman",
899 title = "The diffusion coefficient of interstitial carbon in
901 journal = "Semiconductor Science and Technology",
905 URL = "http://stacks.iop.org/0268-1242/2/315",
907 notes = "diffusion coefficient of carbon interstitials in
912 title = "Carbon incorporation into Si at high concentrations by
913 ion implantation and solid phase epitaxy",
914 author = "J. W. Strane and S. R. Lee and H. J. Stein and S. T.
915 Picraux and J. K. Watanabe and J. W. Mayer",
916 journal = "J. Appl. Phys.",
921 doi = "10.1063/1.360806",
922 notes = "strained silicon, carbon supersaturation",
925 @Article{laveant2002,
926 title = "Epitaxy of carbon-rich silicon with {MBE}",
927 journal = "Materials Science and Engineering B",
933 doi = "DOI: 10.1016/S0921-5107(01)00794-2",
934 URL = "http://www.sciencedirect.com/science/article/B6TXF-44YVPGS-1V/2/024ece074ad18ebbec62a39a2510a268",
935 author = "P. Lav\'eant and G. Gerth and P. Werner and U.
937 notes = "low c in si, tensile stress to compensate compressive
938 stress, avoid sic precipitation",
942 author = "P. Werner and S. Eichler and G. Mariani and R.
943 K{\"{o}}gler and W. Skorupa",
944 title = "Investigation of {C}[sub x]Si defects in {C} implanted
945 silicon by transmission electron microscopy",
948 journal = "Applied Physics Letters",
952 keywords = "silicon; ion implantation; carbon; crystal defects;
953 transmission electron microscopy; annealing; positron
954 annihilation; secondary ion mass spectroscopy; buried
955 layers; precipitation",
956 URL = "http://link.aip.org/link/?APL/70/252/1",
957 doi = "10.1063/1.118381",
958 notes = "si-c complexes, agglomerate, sic in si matrix, sic
962 @InProceedings{werner96,
963 author = "P. Werner and R. K{\"{o}}gler and W. Skorupa and D.
965 booktitle = "Ion Implantation Technology. Proceedings of the 11th
966 International Conference on",
967 title = "{TEM} investigation of {C}-Si defects in carbon
974 doi = "10.1109/IIT.1996.586497",
976 notes = "c-si agglomerates dumbbells",
980 author = "P. Werner and U. G{\"{o}}sele and H.-J. Gossmann and
983 title = "Carbon diffusion in silicon",
986 journal = "Applied Physics Letters",
989 pages = "2465--2467",
990 keywords = "silicon; carbon; elemental semiconductors; diffusion;
991 secondary ion mass spectra; semiconductor epitaxial
992 layers; annealing; impurity-defect interactions;
993 impurity distribution",
994 URL = "http://link.aip.org/link/?APL/73/2465/1",
995 doi = "10.1063/1.122483",
996 notes = "c diffusion in si, kick out mechnism",
1000 author = "J. W. Strane and H. J. Stein and S. R. Lee and S. T.
1001 Picraux and J. K. Watanabe and J. W. Mayer",
1003 title = "Precipitation and relaxation in strained Si[sub 1 -
1004 y]{C}[sub y]/Si heterostructures",
1007 journal = "Journal of Applied Physics",
1010 pages = "3656--3668",
1011 keywords = "SILICON CARBIDES; SILICON; PRECIPITATION; STRAINS",
1012 URL = "http://link.aip.org/link/?JAP/76/3656/1",
1013 doi = "10.1063/1.357429",
1014 notes = "strained si-c to 3c-sic, carbon nucleation + refs,
1015 precipitation by substitutional carbon, coherent prec,
1016 coherent to incoherent transition strain vs interface
1021 author = "G. G. Fischer and P. Zaumseil and E. Bugiel and H. J.
1024 title = "Investigation of the high temperature behavior of
1025 strained Si[sub 1 - y]{C}[sub y] /Si heterostructures",
1028 journal = "Journal of Applied Physics",
1031 pages = "1934--1937",
1032 keywords = "SILICON CARBIDES; SILICON; HETEROSTRUCTURES; STRAINS;
1033 XRD; MOLECULAR BEAM EPITAXY; STABILITY; TENSILE
1034 PROPERTIES; EPITAXIAL LAYERS; ANNEALING; PRECIPITATION;
1035 TEMPERATURE RANGE 04001000 K",
1036 URL = "http://link.aip.org/link/?JAP/77/1934/1",
1037 doi = "10.1063/1.358826",
1041 title = "Prospects for device implementation of wide band gap
1043 author = "J. H. Edgar",
1044 journal = "J. Mater. Res.",
1049 doi = "10.1557/JMR.1992.0235",
1050 notes = "properties wide band gap semiconductor, sic
1054 @Article{zirkelbach2007,
1055 title = "Monte Carlo simulation study of a selforganisation
1056 process leading to ordered precipitate structures",
1057 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1059 journal = "Nucl. Instr. and Meth. B",
1066 doi = "doi:10.1016/j.nimb.2006.12.118",
1067 publisher = "ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM,
1071 @Article{zirkelbach2006,
1072 title = "Monte-Carlo simulation study of the self-organization
1073 of nanometric amorphous precipitates in regular arrays
1074 during ion irradiation",
1075 author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
1077 journal = "Nucl. Instr. and Meth. B",
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1116 Silicon Materials Research for Electronic and
1117 Photovoltaic Applications",
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1123 keywords = "Silicon",
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1125 keywords = "Silicon carbide",
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1128 keywords = "Molecular dynamics simulations",
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1167 title = "Controlling the density distribution of Si{C}
1168 nanocrystals for the ion beam synthesis of buried Si{C}
1170 journal = "Nuclear Instruments and Methods in Physics Research
1171 Section B: Beam Interactions with Materials and Atoms",
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1197 notes = "3c-sic precipitation model, c-si dimers (dumbbells)",
1201 title = "Ion beam synthesis of buried Si{C} layers in silicon:
1202 Basic physical processes",
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1204 Section B: Beam Interactions with Materials and Atoms",
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1213 author = "J{\"{o}}rg K. N. Lindner",
1217 title = "High-dose carbon implantations into silicon:
1218 fundamental studies for new technological tricks",
1219 author = "J. K. N. Lindner",
1220 journal = "Appl. Phys. A",
1224 doi = "10.1007/s00339-002-2062-8",
1225 notes = "ibs, burried sic layers",
1229 title = "On the balance between ion beam induced nanoparticle
1230 formation and displacive precipitate resolution in the
1232 journal = "Materials Science and Engineering: C",
1237 note = "Current Trends in Nanoscience - from Materials to
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1249 application in buffer layer for Ga{N} epitaxial
1251 journal = "Applied Surface Science",
1256 note = "APHYS'03 Special Issue",
1258 doi = "DOI: 10.1016/j.apsusc.2004.05.199",
1259 URL = "http://www.sciencedirect.com/science/article/B6THY-4CTTNGX-B/2/d24ee637db87f3f1a6ef7fe6820f267c",
1260 author = "Y. Ito and T. Yamauchi and A. Yamamoto and M. Sasase
1261 and S. Nishio and K. Yasuda and Y. Ishigami",
1262 notes = "gan on 3c-sic",
1266 author = "B. J. Alder and T. E. Wainwright",
1267 title = "Phase Transition for a Hard Sphere System",
1270 journal = "The Journal of Chemical Physics",
1273 pages = "1208--1209",
1274 URL = "http://link.aip.org/link/?JCP/27/1208/1",
1275 doi = "10.1063/1.1743957",
1279 author = "B. J. Alder and T. E. Wainwright",
1280 title = "Studies in Molecular Dynamics. {I}. General Method",
1283 journal = "The Journal of Chemical Physics",
1287 URL = "http://link.aip.org/link/?JCP/31/459/1",
1288 doi = "10.1063/1.1730376",
1291 @Article{tersoff_si1,
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1294 author = "J. Tersoff",
1295 journal = "Phys. Rev. Lett.",
1302 doi = "10.1103/PhysRevLett.56.632",
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1306 @Article{tersoff_si2,
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1313 pages = "6991--7000",
1317 doi = "10.1103/PhysRevB.37.6991",
1318 publisher = "American Physical Society",
1321 @Article{tersoff_si3,
1322 title = "Empirical interatomic potential for silicon with
1323 improved elastic properties",
1324 author = "J. Tersoff",
1325 journal = "Phys. Rev. B",
1328 pages = "9902--9905",
1332 doi = "10.1103/PhysRevB.38.9902",
1333 publisher = "American Physical Society",
1337 title = "Empirical Interatomic Potential for Carbon, with
1338 Applications to Amorphous Carbon",
1339 author = "J. Tersoff",
1340 journal = "Phys. Rev. Lett.",
1343 pages = "2879--2882",
1347 doi = "10.1103/PhysRevLett.61.2879",
1348 publisher = "American Physical Society",
1352 title = "Modeling solid-state chemistry: Interatomic potentials
1353 for multicomponent systems",
1354 author = "J. Tersoff",
1355 journal = "Phys. Rev. B",
1358 pages = "5566--5568",
1362 doi = "10.1103/PhysRevB.39.5566",
1363 publisher = "American Physical Society",
1367 title = "Carbon defects and defect reactions in silicon",
1368 author = "J. Tersoff",
1369 journal = "Phys. Rev. Lett.",
1372 pages = "1757--1760",
1376 doi = "10.1103/PhysRevLett.64.1757",
1377 publisher = "American Physical Society",
1381 title = "Point defects and dopant diffusion in silicon",
1382 author = "P. M. Fahey and P. B. Griffin and J. D. Plummer",
1383 journal = "Rev. Mod. Phys.",
1390 doi = "10.1103/RevModPhys.61.289",
1391 publisher = "American Physical Society",
1395 title = "Silicon carbide: synthesis and processing",
1396 journal = "Nuclear Instruments and Methods in Physics Research
1397 Section B: Beam Interactions with Materials and Atoms",
1402 note = "Radiation Effects in Insulators",
1404 doi = "DOI: 10.1016/0168-583X(96)00065-1",
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1410 author = "H. Morko\c{c} and S. Strite and G. B. Gao and M. E.
1411 Lin and B. Sverdlov and M. Burns",
1413 title = "Large-band-gap Si{C}, {III}-{V} nitride, and {II}-{VI}
1414 ZnSe-based semiconductor device technologies",
1417 journal = "Journal of Applied Physics",
1420 pages = "1363--1398",
1421 keywords = "SEMICONDUCTOR DEVICES; SILICON CARBIDES; GALLIUM
1422 NITRIDES; ZINC SELENIDES; SUBSTRATES; MOS JUNCTIONS;
1423 LASER MATERIALS; MATERIALS; REVIEWS; ENERGY GAP; THIN
1425 URL = "http://link.aip.org/link/?JAP/76/1363/1",
1426 doi = "10.1063/1.358463",
1427 notes = "sic intro, properties",
1431 author = "P. G. Neudeck",
1432 title = "{PROGRESS} {IN} {SILICON}-{CARBIDE} {SEMICONDUCTOR}
1433 {ELECTRONICS} {TECHNOLOGY}",
1434 journal = "Journal of Electronic Materials",
1443 author = "Noch Unbekannt",
1444 title = "How to find references",
1445 journal = "Journal of Applied References",
1452 title = "Atomistic simulation of thermomechanical properties of
1454 author = "Meijie Tang and Sidney Yip",
1455 journal = "Phys. Rev. B",
1458 pages = "15150--15159",
1461 doi = "10.1103/PhysRevB.52.15150",
1462 notes = "modified tersoff, scale cutoff with volume, promising
1463 tersoff reparametrization",
1464 publisher = "American Physical Society",
1468 title = "Silicon carbide as a new {MEMS} technology",
1469 journal = "Sensors and Actuators A: Physical",
1475 doi = "DOI: 10.1016/S0924-4247(99)00335-0",
1476 URL = "http://www.sciencedirect.com/science/article/B6THG-406VM55-13/2/75385a587669b215d9ef88029a93fd59",
1477 author = "Pasqualina M. Sarro",
1479 keywords = "Silicon carbide",
1480 keywords = "Micromachining",
1481 keywords = "Mechanical stress",
1485 title = "Status of silicon carbide (Si{C}) as a wide-bandgap
1486 semiconductor for high-temperature applications: {A}
1488 journal = "Solid-State Electronics",
1491 pages = "1409--1422",
1494 doi = "DOI: 10.1016/0038-1101(96)00045-7",
1495 URL = "http://www.sciencedirect.com/science/article/B6TY5-3VSR9J0-1/2/a871c11636e937dc45bfdf48e29f725b",
1496 author = "J. B. Casady and R. W. Johnson",
1497 notes = "sic intro",
1500 @Article{giancarli98,
1501 title = "Design requirements for Si{C}/Si{C} composites
1502 structural material in fusion power reactor blankets",
1503 journal = "Fusion Engineering and Design",
1509 doi = "DOI: 10.1016/S0920-3796(97)00200-7",
1510 URL = "http://www.sciencedirect.com/science/article/B6V3C-3V8RYK8-T/2/16949194114900fd1330f79892d7a7be",
1511 author = "L. Giancarli and J. P. Bonal and A. Caso and G. Le
1512 Marois and N. B. Morley and J. F. Salavy",
1516 title = "Electrical and optical characterization of Si{C}",
1517 journal = "Physica B: Condensed Matter",
1523 doi = "DOI: 10.1016/0921-4526(93)90249-6",
1524 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8HRX-99/2/eab9398bf2bbf10df3ae42c2ab28a776",
1525 author = "G. Pensl and W. J. Choyke",
1529 title = "Investigation of growth processes of ingots of silicon
1530 carbide single crystals",
1531 journal = "Journal of Crystal Growth",
1536 notes = "modified lely process",
1538 doi = "DOI: 10.1016/0022-0248(78)90169-0",
1539 URL = "http://www.sciencedirect.com/science/article/B6TJ6-46BY2NR-7S/2/fa6fee78ebd8322491f6366e72d5b6dc",
1540 author = "Yu. M. Tairov and V. F. Tsvetkov",
1544 author = "Shigehiro Nishino and J. Anthony Powell and Herbert A.
1547 title = "Production of large-area single-crystal wafers of
1548 cubic Si{C} for semiconductor devices",
1551 journal = "Applied Physics Letters",
1555 keywords = "silicon carbides; layers; chemical vapor deposition;
1557 URL = "http://link.aip.org/link/?APL/42/460/1",
1558 doi = "10.1063/1.93970",
1559 notes = "cvd of 3c-sic on si, sic buffer layer",
1563 author = "Shigehiro Nishino and Hajime Suhara and Hideyuki Ono
1564 and Hiroyuki Matsunami",
1566 title = "Epitaxial growth and electric characteristics of cubic
1570 journal = "Journal of Applied Physics",
1573 pages = "4889--4893",
1574 URL = "http://link.aip.org/link/?JAP/61/4889/1",
1575 doi = "10.1063/1.338355",
1576 notes = "cvd of 3c-sic on si, sic buffer layer, first time
1581 author = "J. Anthony Powell and Lawrence G. Matus and Maria A.
1583 title = "Growth and Characterization of Cubic Si{C}
1584 Single-Crystal Films on Si",
1587 journal = "Journal of The Electrochemical Society",
1590 pages = "1558--1565",
1591 keywords = "semiconductor materials; silicon compounds; carbon
1592 compounds; crystal morphology; electron mobility",
1593 URL = "http://link.aip.org/link/?JES/134/1558/1",
1594 doi = "10.1149/1.2100708",
1595 notes = "blue light emitting diodes (led)",
1599 author = "Tsunenobu Kimoto and Hironori Nishino and Woo Sik Yoo
1600 and Hiroyuki Matsunami",
1601 title = "Growth mechanism of 6{H}-Si{C} in step-controlled
1605 journal = "Journal of Applied Physics",
1609 keywords = "SILICON CARBIDES; EPITAXY; GROWTH RATE; TEMPERATURE
1610 RANGE 10004000 K; TWINNING; ACTIVATION ENERGY; CHEMICAL
1612 URL = "http://link.aip.org/link/?JAP/73/726/1",
1613 doi = "10.1063/1.353329",
1614 notes = "cvd of 6h-sic on 6h-sic, twinned 3c-sic",
1618 author = "J. A. Powell and D. J. Larkin and L. G. Matus and W.
1619 J. Choyke and J. L. Bradshaw and L. Henderson and M.
1620 Yoganathan and J. Yang and P. Pirouz",
1622 title = "Growth of improved quality 3{C}-Si{C} films on
1623 6{H}-Si{C} substrates",
1626 journal = "Applied Physics Letters",
1629 pages = "1353--1355",
1630 keywords = "SILICON CARBIDES; CHEMICAL VAPOR DEPOSITION; SORPTIVE
1631 PROPERTIES; PHOTOLUMINESCENCE; TRANSMISSION ELECTRON
1632 MICROSCOPY; DEFECT STRUCTURE; STACKING FAULTS; VAPOR
1634 URL = "http://link.aip.org/link/?APL/56/1353/1",
1635 doi = "10.1063/1.102512",
1636 notes = "cvd of 3c-sic on 6h-sic",
1640 author = "C. Yuan and A. J. Steckl and J. Chaudhuri and R.
1641 Thokala and M. J. Loboda",
1643 title = "Reduced temperature growth of crystalline 3{C}-Si{C}
1644 films on 6{H}-Si{C} by chemical vapor deposition from
1648 journal = "Journal of Applied Physics",
1651 pages = "1271--1273",
1652 keywords = "SILICON CARBIDES; THIN FILMS; CVD; EPITAXY; ABSORPTION
1653 EDGE; CRYSTAL STRUCTURE; STRAINS; DISLOCATIONS; XRD;
1655 URL = "http://link.aip.org/link/?JAP/78/1271/1",
1656 doi = "10.1063/1.360368",
1657 notes = "3c-sic on 6h-sic, cvd, reduced temperature",
1661 title = "Epitaxial growth of Si{C} thin films on Si-stabilized
1662 [alpha]-Si{C}(0001) at low temperatures by solid-source
1663 molecular beam epitaxy",
1664 journal = "Journal of Crystal Growth",
1670 doi = "DOI: 10.1016/0022-0248(95)00170-0",
1671 URL = "http://www.sciencedirect.com/science/article/B6TJ6-3Y5MMXM-1N/2/65549019b878bf02d5ec645b7eea9e98",
1672 author = "A. Fissel and U. Kaiser and E. Ducke and B.
1673 Schr{\"{o}}ter and W. Richter",
1674 notes = "solid source mbe of 3c-sic on si and 6h-sic",
1677 @Article{fissel95_apl,
1678 author = "A. Fissel and B. Schr{\"{o}}ter and W. Richter",
1680 title = "Low-temperature growth of Si{C} thin films on Si and
1681 6{H}--Si{C} by solid-source molecular beam epitaxy",
1684 journal = "Applied Physics Letters",
1687 pages = "3182--3184",
1688 keywords = "SILICON CARBIDES; MOLECULAR BEAM EPITAXY; MORPHOLOGY;
1690 URL = "http://link.aip.org/link/?APL/66/3182/1",
1691 doi = "10.1063/1.113716",
1692 notes = "mbe 3c-sic on si and 6h-sic",
1696 author = "J. A. Borders and S. T. Picraux and W. Beezhold",
1698 title = "{FORMATION} {OF} Si{C} {IN} {SILICON} {BY} {ION}
1702 journal = "Applied Physics Letters",
1706 URL = "http://link.aip.org/link/?APL/18/509/1",
1707 doi = "10.1063/1.1653516",
1708 notes = "first time sic by ibs, follow cites for precipitation
1713 author = "K. J. Reeson and P. L. F. Hemment and J. Stoemenos and
1714 J. Davis and G. E. Celler",
1716 title = "Formation of buried layers of beta-Si{C} using ion
1717 beam synthesis and incoherent lamp annealing",
1720 journal = "Applied Physics Letters",
1723 pages = "2242--2244",
1724 keywords = "SILICON CARBIDES; FILM GROWTH; SOLIDPHASE EPITAXY; ION
1725 IMPLANTATION; CARBON IONS; DOPING PROFILES; SYNTHESIS",
1726 URL = "http://link.aip.org/link/?APL/51/2242/1",
1727 doi = "10.1063/1.98953",
1728 notes = "nice tem images, sic by ibs",
1732 author = "R. I. Scace and G. A. Slack",
1734 title = "Solubility of Carbon in Silicon and Germanium",
1737 journal = "The Journal of Chemical Physics",
1740 pages = "1551--1555",
1741 URL = "http://link.aip.org/link/?JCP/30/1551/1",
1742 doi = "10.1063/1.1730236",
1743 notes = "solubility of c in c-si, si-c phase diagram",
1747 author = "N. E. B. Cowern and A. Cacciato and J. S. Custer and
1748 F. W. Saris and W. Vandervorst",
1750 title = "Role of {C} and {B} clusters in transient diffusion of
1754 journal = "Applied Physics Letters",
1757 pages = "1150--1152",
1758 keywords = "ATOMIC CLUSTERS; BORON ADDITIONS; CRYSTAL DOPING;
1759 DIFFUSION; DOPED MATERIALS; IMPURITIES; INTERSTITIALS;
1761 URL = "http://link.aip.org/link/?APL/68/1150/1",
1762 doi = "10.1063/1.115706",
1763 notes = "suppression of transient enhanced diffusion (ted)",
1767 title = "Implantation and transient boron diffusion: the role
1768 of the silicon self-interstitial",
1769 journal = "Nuclear Instruments and Methods in Physics Research
1770 Section B: Beam Interactions with Materials and Atoms",
1775 note = "Selected Papers of the Tenth International Conference
1776 on Ion Implantation Technology (IIT '94)",
1778 doi = "DOI: 10.1016/0168-583X(94)00481-1",
1779 URL = "http://www.sciencedirect.com/science/article/B6TJN-40WKY1P-29/2/602c6e5b809221323d2d2968edd0a71c",
1780 author = "P. A. Stolk and H. -J. Gossmann and D. J. Eaglesham
1785 author = "P. A. Stolk and H.-J. Gossmann and D. J. Eaglesham and
1786 D. C. Jacobson and C. S. Rafferty and G. H. Gilmer and
1787 M. Jara\'{\i}z and J. M. Poate and H. S. Luftman and T.
1790 title = "Physical mechanisms of transient enhanced dopant
1791 diffusion in ion-implanted silicon",
1794 journal = "Journal of Applied Physics",
1797 pages = "6031--6050",
1798 URL = "http://link.aip.org/link/?JAP/81/6031/1",
1799 doi = "10.1063/1.364452",
1800 notes = "ted, transient enhanced diffusion, c silicon trap",
1804 author = "A. R. Powell and F. K. LeGoues and S. S. Iyer",
1806 title = "Formation of beta-Si{C} nanocrystals by the relaxation
1807 of Si[sub 1 - y]{C}[sub y] random alloy layers",
1810 journal = "Applied Physics Letters",
1814 keywords = "SILICON CARBIDES; NANOSTRUCTURES; DISPERSIONS;
1815 EPITAXIAL LAYERS; STRESS RELAXATION; ANNEALING;
1816 TEMPERATURE EFFECTS; PRECIPITATION; DISLOCATIONS;
1818 URL = "http://link.aip.org/link/?APL/64/324/1",
1819 doi = "10.1063/1.111195",
1820 notes = "beta sic nano crystals in si, mbe, annealing",
1824 author = "Richard A. Soref",
1826 title = "Optical band gap of the ternary semiconductor Si[sub 1
1827 - x - y]Ge[sub x]{C}[sub y]",
1830 journal = "Journal of Applied Physics",
1833 pages = "2470--2472",
1834 keywords = "SILICON CARBIDES; GERMANIUM CARBIDES; ENERGY GAP;
1835 OPTICAL PROPERTIES; DIAMONDS; SEMICONDUCTOR ALLOYS;
1837 URL = "http://link.aip.org/link/?JAP/70/2470/1",
1838 doi = "10.1063/1.349403",
1839 notes = "band gap of strained si by c",
1843 author = "E Kasper",
1844 title = "Superlattices of group {IV} elements, a new
1845 possibility to produce direct band gap material",
1846 journal = "Physica Scripta",
1849 URL = "http://stacks.iop.org/1402-4896/T35/232",
1851 notes = "superlattices, convert indirect band gap into a
1856 author = "H. J. Osten and J. Griesche and S. Scalese",
1858 title = "Substitutional carbon incorporation in epitaxial
1859 Si[sub 1 - y]{C}[sub y] alloys on Si(001) grown by
1860 molecular beam epitaxy",
1863 journal = "Applied Physics Letters",
1867 keywords = "molecular beam epitaxial growth; semiconductor growth;
1868 wide band gap semiconductors; interstitials; silicon
1870 URL = "http://link.aip.org/link/?APL/74/836/1",
1871 doi = "10.1063/1.123384",
1872 notes = "substitutional c in si",
1875 @Article{hohenberg64,
1876 title = "Inhomogeneous Electron Gas",
1877 author = "P. Hohenberg and W. Kohn",
1878 journal = "Phys. Rev.",
1881 pages = "B864--B871",
1885 doi = "10.1103/PhysRev.136.B864",
1886 publisher = "American Physical Society",
1887 notes = "density functional theory, dft",
1891 title = "Self-Consistent Equations Including Exchange and
1892 Correlation Effects",
1893 author = "W. Kohn and L. J. Sham",
1894 journal = "Phys. Rev.",
1897 pages = "A1133--A1138",
1901 doi = "10.1103/PhysRev.140.A1133",
1902 publisher = "American Physical Society",
1903 notes = "dft, exchange and correlation",
1907 title = "Strain-stabilized highly concentrated pseudomorphic
1908 $Si1-x$$Cx$ layers in Si",
1909 author = "H. R{\"u}cker and M. Methfessel and E. Bugiel and H.
1911 journal = "Phys. Rev. Lett.",
1914 pages = "3578--3581",
1918 doi = "10.1103/PhysRevLett.72.3578",
1919 publisher = "American Physical Society",
1920 notes = "high c concentration in si, heterostructure, starined
1925 title = "Electron Transport Model for Strained Silicon-Carbon
1927 author = "Shu-Tong Chang and Chung-Yi Lin",
1928 journal = "Japanese Journal of Applied Physics",
1931 pages = "2257--2262",
1934 URL = "http://jjap.ipap.jp/link?JJAP/44/2257/",
1935 doi = "10.1143/JJAP.44.2257",
1936 publisher = "The Japan Society of Applied Physics",
1937 notes = "enhance of electron mobility in starined si",
1941 author = "H. J. Osten and P. Gaworzewski",
1943 title = "Charge transport in strained Si[sub 1 - y]{C}[sub y]
1944 and Si[sub 1 - x - y]Ge[sub x]{C}[sub y] alloys on
1948 journal = "Journal of Applied Physics",
1951 pages = "4977--4981",
1952 keywords = "silicon compounds; Ge-Si alloys; wide band gap
1953 semiconductors; semiconductor epitaxial layers; carrier
1954 density; Hall mobility; interstitials; defect states",
1955 URL = "http://link.aip.org/link/?JAP/82/4977/1",
1956 doi = "10.1063/1.366364",
1957 notes = "charge transport in strained si",
1961 title = "Carbon-mediated aggregation of self-interstitials in
1962 silicon: {A} large-scale molecular dynamics study",
1963 author = "Sumeet S. Kapur and Manish Prasad and Talid Sinno",
1964 journal = "Phys. Rev. B",
1971 doi = "10.1103/PhysRevB.69.155214",
1972 publisher = "American Physical Society",
1973 notes = "simulation using promising tersoff reparametrization",
1977 title = "Event-Based Relaxation of Continuous Disordered
1979 author = "G. T. Barkema and Normand Mousseau",
1980 journal = "Phys. Rev. Lett.",
1983 pages = "4358--4361",
1987 doi = "10.1103/PhysRevLett.77.4358",
1988 publisher = "American Physical Society",
1989 notes = "activation relaxation technique, art, speed up slow
1994 author = "E. Canc\`{e}s and F. Legoll and M.-C. Marinica and K.
1995 Minoukadeh and F. Willaime",
1997 title = "Some improvements of the activation-relaxation
1998 technique method for finding transition pathways on
1999 potential energy surfaces",
2002 journal = "The Journal of Chemical Physics",
2008 keywords = "eigenvalues and eigenfunctions; iron; potential energy
2009 surfaces; vacancies (crystal)",
2010 URL = "http://link.aip.org/link/?JCP/130/114711/1",
2011 doi = "10.1063/1.3088532",
2012 notes = "improvements to art, refs for methods to find
2013 transition pathways",
2016 @Article{parrinello81,
2017 author = "M. Parrinello and A. Rahman",
2019 title = "Polymorphic transitions in single crystals: {A} new
2020 molecular dynamics method",
2023 journal = "Journal of Applied Physics",
2026 pages = "7182--7190",
2027 keywords = "MONOCRYSTALS; PHASE TRANSFORMATIONS; STRUCTURAL
2028 MODELS; DYNAMICS; THEORETICAL DATA; STRESSES;
2029 CONFIGURATION; LAGRANGE EQUATIONS; SIZE; NICKEL;
2030 COMPRESSION; TENSILE PROPERTIES; COMPARATIVE
2031 EVALUATIONS; STRAINS; CUBIC LATTICES; HCP LATTICES;
2033 URL = "http://link.aip.org/link/?JAP/52/7182/1",
2034 doi = "10.1063/1.328693",
2037 @Article{stillinger85,
2038 title = "Computer simulation of local order in condensed phases
2040 author = "Frank H. Stillinger and Thomas A. Weber",
2041 journal = "Phys. Rev. B",
2044 pages = "5262--5271",
2048 doi = "10.1103/PhysRevB.31.5262",
2049 publisher = "American Physical Society",
2053 title = "Empirical potential for hydrocarbons for use in
2054 simulating the chemical vapor deposition of diamond
2056 author = "Donald W. Brenner",
2057 journal = "Phys. Rev. B",
2060 pages = "9458--9471",
2064 doi = "10.1103/PhysRevB.42.9458",
2065 publisher = "American Physical Society",
2066 notes = "brenner hydro carbons",
2070 title = "Modeling of Covalent Bonding in Solids by Inversion of
2071 Cohesive Energy Curves",
2072 author = "Martin Z. Bazant and Efthimios Kaxiras",
2073 journal = "Phys. Rev. Lett.",
2076 pages = "4370--4373",
2080 doi = "10.1103/PhysRevLett.77.4370",
2081 publisher = "American Physical Society",
2082 notes = "first si edip",
2086 title = "Environment-dependent interatomic potential for bulk
2088 author = "Martin Z. Bazant and Efthimios Kaxiras and J. F.
2090 journal = "Phys. Rev. B",
2093 pages = "8542--8552",
2097 doi = "10.1103/PhysRevB.56.8542",
2098 publisher = "American Physical Society",
2099 notes = "second si edip",
2103 title = "Interatomic potential for silicon defects and
2105 author = "Jo\tilde{a}o F. Justo and Martin Z. Bazant and
2106 Efthimios Kaxiras and V. V. Bulatov and Sidney Yip",
2107 journal = "Phys. Rev. B",
2110 pages = "2539--2550",
2114 doi = "10.1103/PhysRevB.58.2539",
2115 publisher = "American Physical Society",
2116 notes = "latest si edip, good dislocation explanation",
2120 title = "{PARCAS} molecular dynamics code",
2121 author = "K. Nordlund",
2126 title = "Hyperdynamics: Accelerated Molecular Dynamics of
2128 author = "Arthur F. Voter",
2129 journal = "Phys. Rev. Lett.",
2132 pages = "3908--3911",
2136 doi = "10.1103/PhysRevLett.78.3908",
2137 publisher = "American Physical Society",
2138 notes = "hyperdynamics, accelerated md",
2142 author = "Arthur F. Voter",
2144 title = "A method for accelerating the molecular dynamics
2145 simulation of infrequent events",
2148 journal = "The Journal of Chemical Physics",
2151 pages = "4665--4677",
2152 keywords = "COMPUTERIZED SIMULATION; NICKEL; DIFFUSION; ATOM
2153 TRANSPORT; MOLECULAR ORBITAL METHOD; POTENTIAL ENERGY;
2154 SURFACE POTENTIAL; MOLECULAR DYNAMICS METHOD; potential
2155 energy functions; surface diffusion; reaction kinetics
2156 theory; potential energy surfaces",
2157 URL = "http://link.aip.org/link/?JCP/106/4665/1",
2158 doi = "10.1063/1.473503",
2159 notes = "improved hyperdynamics md",
2162 @Article{sorensen2000,
2163 author = "Mads R. S\o rensen and Arthur F. Voter",
2165 title = "Temperature-accelerated dynamics for simulation of
2169 journal = "The Journal of Chemical Physics",
2172 pages = "9599--9606",
2173 keywords = "SOLID STATE PHYSICS; SIMULATION; DIFFUSION; SURFACES;
2174 MOLECULAR DYNAMICS METHOD; surface diffusion",
2175 URL = "http://link.aip.org/link/?JCP/112/9599/1",
2176 doi = "10.1063/1.481576",
2177 notes = "temperature accelerated dynamics, tad",
2181 title = "Parallel replica method for dynamics of infrequent
2183 author = "Arthur F. Voter",
2184 journal = "Phys. Rev. B",
2187 pages = "R13985--R13988",
2191 doi = "10.1103/PhysRevB.57.R13985",
2192 publisher = "American Physical Society",
2193 notes = "parallel replica method, accelerated md",
2197 author = "Xiongwu Wu and Shaomeng Wang",
2199 title = "Enhancing systematic motion in molecular dynamics
2203 journal = "The Journal of Chemical Physics",
2206 pages = "9401--9410",
2207 keywords = "molecular dynamics method; argon; Lennard-Jones
2208 potential; crystallisation; liquid theory",
2209 URL = "http://link.aip.org/link/?JCP/110/9401/1",
2210 doi = "10.1063/1.478948",
2211 notes = "self guided md, sgmd, accelerated md, enhancing
2215 @Article{choudhary05,
2216 author = "Devashish Choudhary and Paulette Clancy",
2218 title = "Application of accelerated molecular dynamics schemes
2219 to the production of amorphous silicon",
2222 journal = "The Journal of Chemical Physics",
2228 keywords = "molecular dynamics method; silicon; glass structure;
2229 amorphous semiconductors",
2230 URL = "http://link.aip.org/link/?JCP/122/154509/1",
2231 doi = "10.1063/1.1878733",
2232 notes = "explanation of sgmd and hyper md, applied to amorphous
2237 author = "W. J. Taylor and T. Y. Tan and U. G{\"{o}}sele",
2239 title = "Carbon precipitation in silicon: Why is it so
2243 journal = "Applied Physics Letters",
2246 pages = "3336--3338",
2247 keywords = "SILICON; CARBON ADDITIONS; OXYGEN ADDITIONS; DOPED
2248 MATERIALS; PRECIPITATION; THERMODYNAMICS; SURFACE
2250 URL = "http://link.aip.org/link/?APL/62/3336/1",
2251 doi = "10.1063/1.109063",
2252 notes = "interfacial energy of cubic sic and si",
2255 @Article{chaussende08,
2256 title = "Prospects for 3{C}-Si{C} bulk crystal growth",
2257 journal = "Journal of Crystal Growth",
2262 note = "Proceedings of the E-MRS Conference, Symposium G -
2263 Substrates of Wide Bandgap Materials",
2265 doi = "DOI: 10.1016/j.jcrysgro.2007.11.140",
2266 URL = "http://www.sciencedirect.com/science/article/B6TJ6-4R7J67S-F/2/e92fc194b652409f5b119393d608b082",
2267 author = "D. Chaussende and F. Mercier and A. Boulle and F.
2268 Conchon and M. Soueidan and G. Ferro and A. Mantzari
2269 and A. Andreadou and E. K. Polychroniadis and C.
2270 Balloud and S. Juillaguet and J. Camassel and M. Pons",
2271 notes = "3c-sic crystal growth, sic fabrication + links,
2276 title = "Forces in Molecules",
2277 author = "R. P. Feynman",
2278 journal = "Phys. Rev.",
2285 doi = "10.1103/PhysRev.56.340",
2286 publisher = "American Physical Society",
2287 notes = "hellmann feynman forces",
2291 title = "Bonding Arrangements at the $Si-Si{O}_{2}$ and
2292 $Si{C}-Si{O}_{2}$ Interfaces and a Possible Origin of
2293 their Contrasting Properties",
2294 author = "Ryszard Buczko and Stephen J. Pennycook and Sokrates
2296 journal = "Phys. Rev. Lett.",
2303 doi = "10.1103/PhysRevLett.84.943",
2304 publisher = "American Physical Society",
2305 notes = "si sio2 and sic sio2 interface",
2308 @Article{djurabekova08,
2309 title = "Atomistic simulation of the interface structure of Si
2310 nanocrystals embedded in amorphous silica",
2311 author = "Flyura Djurabekova and Kai Nordlund",
2312 journal = "Phys. Rev. B",
2319 doi = "10.1103/PhysRevB.77.115325",
2320 publisher = "American Physical Society",
2321 notes = "nc-si in sio2, interface energy, nc construction,
2322 angular distribution, coordination",
2326 author = "C. Wen and Y. M. Wang and W. Wan and F. H. Li and J.
2327 W. Liang and J. Zou",
2329 title = "Nature of interfacial defects and their roles in
2330 strain relaxation at highly lattice mismatched
2331 3{C}-Si{C}/Si (001) interface",
2334 journal = "Journal of Applied Physics",
2340 keywords = "anelastic relaxation; crystal structure; dislocations;
2341 elemental semiconductors; semiconductor growth;
2342 semiconductor thin films; silicon; silicon compounds;
2343 stacking faults; wide band gap semiconductors",
2344 URL = "http://link.aip.org/link/?JAP/106/073522/1",
2345 doi = "10.1063/1.3234380",
2346 notes = "sic/si interface, follow refs, tem image
2347 deconvolution, dislocation defects",
2350 @Article{kitabatake93,
2351 author = "Makoto Kitabatake and Masahiro Deguchi and Takashi
2354 title = "Simulations and experiments of Si{C} heteroepitaxial
2355 growth on Si(001) surface",
2358 journal = "Journal of Applied Physics",
2361 pages = "4438--4445",
2362 keywords = "SILICON CARBIDES; FILM GROWTH; SIMULATION; MOLECULAR
2363 BEAM EPITAXY; MOLECULAR DYNAMICS CALCULATIONS; SILICON;
2364 MICROSTRUCTURE; ULTRAVIOLET RADIATION; IRRADIATION",
2365 URL = "http://link.aip.org/link/?JAP/74/4438/1",
2366 doi = "10.1063/1.354385",
2367 notes = "mbe and md of sic growth on si, 4 to 5 shrinkage
2372 title = "Strain relaxation and thermal stability of the
2373 3{C}-Si{C}(001)/Si(001) interface: {A} molecular
2375 journal = "Thin Solid Films",
2382 doi = "DOI: 10.1016/S0040-6090(96)09257-7",
2383 URL = "http://www.sciencedirect.com/science/article/B6TW0-41WBB52-C/2/6ef684a04d02dd3b108f972377cde8f4",
2384 author = "V. Chirita and L. Hultman and L. R. Wallenberg",
2385 keywords = "Strain relaxation",
2386 keywords = "Interfaces",
2387 keywords = "Thermal stability",
2388 keywords = "Molecular dynamics",
2389 notes = "tersoff sic/si interface study",
2393 title = "Ab initio Study of Misfit Dislocations at the
2394 $Si{C}/Si(001)$ Interface",
2395 author = "Giancarlo Cicero and Laurent Pizzagalli and Alessandra
2397 journal = "Phys. Rev. Lett.",
2404 doi = "10.1103/PhysRevLett.89.156101",
2405 publisher = "American Physical Society",
2406 notes = "sic/si interface study",
2409 @Article{pizzagalli03,
2410 title = "Theoretical investigations of a highly mismatched
2411 interface: Si{C}/Si(001)",
2412 author = "Laurent Pizzagalli and Giancarlo Cicero and Alessandra
2414 journal = "Phys. Rev. B",
2421 doi = "10.1103/PhysRevB.68.195302",
2422 publisher = "American Physical Society",
2423 notes = "tersoff md and ab initio sic/si interface study",
2427 title = "Atomic configurations of dislocation core and twin
2428 boundaries in $ 3{C}-Si{C} $ studied by high-resolution
2429 electron microscopy",
2430 author = "C. Y. Tang and F. H. Li and R. Wang and J. Zou and X.
2431 H. Zheng and J. W. Liang",
2432 journal = "Phys. Rev. B",
2439 doi = "10.1103/PhysRevB.75.184103",
2440 publisher = "American Physical Society",
2441 notes = "hrem image deconvolution on 3c-sic on si, distinguish
2445 @Article{hornstra58,
2446 title = "Dislocations in the diamond lattice",
2447 journal = "Journal of Physics and Chemistry of Solids",
2454 doi = "DOI: 10.1016/0022-3697(58)90138-0",
2455 URL = "http://www.sciencedirect.com/science/article/B6TXR-46MMPHJ-10D/2/7176c01c29cd4e73faa26ab2aacdcea5",
2456 author = "J. Hornstra",
2457 notes = "dislocations in diamond lattice",
2460 @Article{eichhorn99,
2461 author = "F. Eichhorn and N. Schell and W. Matz and R.
2464 title = "Strain and Si{C} particle formation in silicon
2465 implanted with carbon ions of medium fluence studied by
2466 synchrotron x-ray diffraction",
2469 journal = "Journal of Applied Physics",
2472 pages = "4184--4187",
2473 keywords = "silicon; carbon; elemental semiconductors; chemical
2474 interdiffusion; ion implantation; X-ray diffraction;
2475 precipitation; semiconductor doping",
2476 URL = "http://link.aip.org/link/?JAP/86/4184/1",
2477 doi = "10.1063/1.371344",
2478 notes = "sic conversion by ibs, detected substitutional carbon,
2479 expansion of si lattice",
2482 @Article{eichhorn02,
2483 author = "F. Eichhorn and N. Schell and A. M{\"{u}}cklich and H.
2484 Metzger and W. Matz and R. K{\"{o}}gler",
2486 title = "Structural relation between Si and Si{C} formed by
2487 carbon ion implantation",
2490 journal = "Journal of Applied Physics",
2493 pages = "1287--1292",
2494 keywords = "silicon compounds; wide band gap semiconductors; ion
2495 implantation; annealing; X-ray scattering; transmission
2496 electron microscopy",
2497 URL = "http://link.aip.org/link/?JAP/91/1287/1",
2498 doi = "10.1063/1.1428105",
2499 notes = "3c-sic alignement to si host in ibs depending on
2500 temperature, might explain c int to c sub trafo",
2504 author = "G Lucas and M Bertolus and L Pizzagalli",
2505 title = "An environment-dependent interatomic potential for
2506 silicon carbide: calculation of bulk properties,
2507 high-pressure phases, point and extended defects, and
2508 amorphous structures",
2509 journal = "Journal of Physics: Condensed Matter",
2513 URL = "http://stacks.iop.org/0953-8984/22/i=3/a=035802",
2519 author = "J Godet and L Pizzagalli and S Brochard and P
2521 title = "Comparison between classical potentials and ab initio
2522 methods for silicon under large shear",
2523 journal = "Journal of Physics: Condensed Matter",
2527 URL = "http://stacks.iop.org/0953-8984/15/i=41/a=004",
2529 notes = "comparison of empirical potentials, stillinger weber,
2530 edip, tersoff, ab initio",
2533 @Article{moriguchi98,
2534 title = "Verification of Tersoff's Potential for Static
2535 Structural Analysis of Solids of Group-{IV} Elements",
2536 author = "Koji Moriguchi and Akira Shintani",
2537 journal = "Japanese Journal of Applied Physics",
2539 number = "Part 1, No. 2",
2543 URL = "http://jjap.ipap.jp/link?JJAP/37/414/",
2544 doi = "10.1143/JJAP.37.414",
2545 publisher = "The Japan Society of Applied Physics",
2546 notes = "tersoff stringent test",
2549 @Article{mazzarolo01,
2550 title = "Low-energy recoils in crystalline silicon: Quantum
2552 author = "Massimiliano Mazzarolo and Luciano Colombo and Giorgio
2553 Lulli and Eros Albertazzi",
2554 journal = "Phys. Rev. B",
2561 doi = "10.1103/PhysRevB.63.195207",
2562 publisher = "American Physical Society",
2565 @Article{holmstroem08,
2566 title = "Threshold defect production in silicon determined by
2567 density functional theory molecular dynamics
2569 author = "E. Holmstr{\"o}m and A. Kuronen and K. Nordlund",
2570 journal = "Phys. Rev. B",
2577 doi = "10.1103/PhysRevB.78.045202",
2578 publisher = "American Physical Society",
2579 notes = "threshold displacement comparison empirical and ab
2583 @Article{nordlund97,
2584 title = "Repulsive interatomic potentials calculated using
2585 Hartree-Fock and density-functional theory methods",
2586 journal = "Nuclear Instruments and Methods in Physics Research
2587 Section B: Beam Interactions with Materials and Atoms",
2594 doi = "DOI: 10.1016/S0168-583X(97)00447-3",
2595 URL = "http://www.sciencedirect.com/science/article/B6TJN-4CP0TGF-91/2/1a9100c0aae82d2d258fc83dfdba23c1",
2596 author = "K. Nordlund and N. Runeberg and D. Sundholm",
2597 notes = "repulsive ab initio potential",
2601 title = "Efficiency of ab-initio total energy calculations for
2602 metals and semiconductors using a plane-wave basis
2604 journal = "Computational Materials Science",
2611 doi = "DOI: 10.1016/0927-0256(96)00008-0",
2612 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VRVTBF-3/2/88689b1eacfe2b5fe57f09d37eff3b74",
2613 author = "G. Kresse and J. Furthm{\"{u}}ller",
2618 title = "Projector augmented-wave method",
2619 author = "P. E. Bl{\"o}chl",
2620 journal = "Phys. Rev. B",
2623 pages = "17953--17979",
2627 doi = "10.1103/PhysRevB.50.17953",
2628 publisher = "American Physical Society",
2629 notes = "paw method",
2633 title = "Norm-Conserving Pseudopotentials",
2634 author = "D. R. Hamann and M. Schl{\"u}ter and C. Chiang",
2635 journal = "Phys. Rev. Lett.",
2638 pages = "1494--1497",
2642 doi = "10.1103/PhysRevLett.43.1494",
2643 publisher = "American Physical Society",
2644 notes = "norm-conserving pseudopotentials",
2647 @Article{vanderbilt90,
2648 title = "Soft self-consistent pseudopotentials in a generalized
2649 eigenvalue formalism",
2650 author = "David Vanderbilt",
2651 journal = "Phys. Rev. B",
2654 pages = "7892--7895",
2658 doi = "10.1103/PhysRevB.41.7892",
2659 publisher = "American Physical Society",
2660 notes = "vasp pseudopotentials",
2664 title = "Accurate and simple density functional for the
2665 electronic exchange energy: Generalized gradient
2667 author = "John P. Perdew and Wang Yue",
2668 journal = "Phys. Rev. B",
2671 pages = "8800--8802",
2675 doi = "10.1103/PhysRevB.33.8800",
2676 publisher = "American Physical Society",
2677 notes = "rapid communication gga",
2681 title = "Generalized gradient approximations for exchange and
2682 correlation: {A} look backward and forward",
2683 journal = "Physica B: Condensed Matter",
2690 doi = "DOI: 10.1016/0921-4526(91)90409-8",
2691 URL = "http://www.sciencedirect.com/science/article/B6TVH-46G8GR9-3D/2/18e610a616e4d80b934079c89063ece7",
2692 author = "John P. Perdew",
2693 notes = "gga overview",
2697 title = "Atoms, molecules, solids, and surfaces: Applications
2698 of the generalized gradient approximation for exchange
2700 author = "John P. Perdew and J. A. Chevary and S. H. Vosko and
2701 Koblar A. Jackson and Mark R. Pederson and D. J. Singh
2702 and Carlos Fiolhais",
2703 journal = "Phys. Rev. B",
2706 pages = "6671--6687",
2710 doi = "10.1103/PhysRevB.46.6671",
2711 publisher = "American Physical Society",
2712 notes = "gga pw91 (as in vasp)",
2715 @Article{baldereschi73,
2716 title = "Mean-Value Point in the Brillouin Zone",
2717 author = "A. Baldereschi",
2718 journal = "Phys. Rev. B",
2721 pages = "5212--5215",
2725 doi = "10.1103/PhysRevB.7.5212",
2726 publisher = "American Physical Society",
2727 notes = "mean value k point",
2731 title = "Ab initio pseudopotential calculations of dopant
2733 journal = "Computational Materials Science",
2740 doi = "DOI: 10.1016/S0927-0256(98)00023-8",
2741 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VB7F2K-7/2/aa864582273be8e054300efb7bd16a1b",
2742 author = "Jing Zhu",
2743 keywords = "TED (transient enhanced diffusion)",
2744 keywords = "Boron dopant",
2745 keywords = "Carbon dopant",
2746 keywords = "Defect",
2747 keywords = "ab initio pseudopotential method",
2748 keywords = "Impurity cluster",
2749 notes = "binding of c to si interstitial, c in si defects",
2753 author = "A. Nejim and P. L. F. Hemment and J. Stoemenos",
2755 title = "Si{C} buried layer formation by ion beam synthesis at
2759 journal = "Applied Physics Letters",
2762 pages = "2646--2648",
2763 keywords = "SILICON; ION IMPLANTATION; CARBON IONS; SILICON
2764 CARBIDES; BURIED LAYERS; SYNTHESIS; KEV RANGE 100 --
2765 1000; CRYSTAL DEFECTS; MORPHOLOGY; RBS; TRANSMISSION
2766 ELECTRON MICROSCOPY",
2767 URL = "http://link.aip.org/link/?APL/66/2646/1",
2768 doi = "10.1063/1.113112",
2769 notes = "precipitation mechanism by substitutional carbon, si
2770 self interstitials react with further implanted c",
2774 author = "C. Guedj and M. W. Dashiell and L. Kulik and J.
2775 Kolodzey and A. Hairie",
2777 title = "Precipitation of beta-Si{C} in Si[sub 1 - y]{C}[sub y]
2781 journal = "Journal of Applied Physics",
2784 pages = "4631--4633",
2785 keywords = "silicon compounds; precipitation; localised modes;
2786 semiconductor epitaxial layers; infrared spectra;
2787 Fourier transform spectra; thermal stability;
2789 URL = "http://link.aip.org/link/?JAP/84/4631/1",
2790 doi = "10.1063/1.368703",
2791 notes = "coherent 3C-SiC, topotactic, critical coherence size",
2795 author = "R Jones and B J Coomer and P R Briddon",
2796 title = "Quantum mechanical modelling of defects in
2798 journal = "Journal of Physics: Condensed Matter",
2802 URL = "http://stacks.iop.org/0953-8984/16/i=27/a=004",
2804 notes = "ab inito init, vibrational modes, c defect in si",
2808 author = "S. Y. Park and J. D'Arcy-Gall and D. Gall and J. A. N.
2809 T Soares and Y.-W. Kim and H. Kim and P. Desjardins and
2810 J. E. Greene and S. G. Bishop",
2812 title = "Carbon incorporation pathways and lattice sites in
2813 Si[sub 1 - y]{C}[sub y] alloys grown on Si(001) by
2814 molecular-beam epitaxy",
2817 journal = "Journal of Applied Physics",
2820 pages = "5716--5727",
2821 URL = "http://link.aip.org/link/?JAP/91/5716/1",
2822 doi = "10.1063/1.1465122",
2823 notes = "c substitutional incorporation pathway, dft and expt",
2827 title = "Dynamic properties of interstitial carbon and
2828 carbon-carbon pair defects in silicon",
2829 author = "P. Leary and R. Jones and S. {\"O}berg and V. J. B.
2831 journal = "Phys. Rev. B",
2834 pages = "2188--2194",
2838 doi = "10.1103/PhysRevB.55.2188",
2839 publisher = "American Physical Society",
2840 notes = "ab initio c in si and di-carbon defect, no formation
2841 energies, different migration barriers and paths",
2845 title = "Interstitial carbon and the carbon-carbon pair in
2846 silicon: Semiempirical electronic-structure
2848 author = "Matthew J. Burnard and Gary G. DeLeo",
2849 journal = "Phys. Rev. B",
2852 pages = "10217--10225",
2856 doi = "10.1103/PhysRevB.47.10217",
2857 publisher = "American Physical Society",
2858 notes = "semi empirical mndo, pm3 and mindo3 c in si and di
2859 carbon defect, formation energies",
2863 title = "Electronic structure of interstitial carbon in
2865 author = "Morgan Besson and Gary G. DeLeo",
2866 journal = "Phys. Rev. B",
2869 pages = "4028--4033",
2873 doi = "10.1103/PhysRevB.43.4028",
2874 publisher = "American Physical Society",
2878 title = "Review of atomistic simulations of surface diffusion
2879 and growth on semiconductors",
2880 journal = "Computational Materials Science",
2885 note = "Proceedings of the Workshop on Virtual Molecular Beam
2888 doi = "DOI: 10.1016/0927-0256(96)00030-4",
2889 URL = "http://www.sciencedirect.com/science/article/B6TWM-3VSFF1G-7/2/afc8408b00ded1ca2dc3ad1686c2dae6",
2890 author = "Efthimios Kaxiras",
2891 notes = "might contain c 100 db formation energy, overview md,
2892 tight binding, first principles",
2895 @Article{kaukonen98,
2896 title = "Effect of {N} and {B} doping on the growth of {CVD}
2898 $(100):{H}(2\ifmmode\times\else\texttimes\fi{}1)$
2900 author = "M. Kaukonen and P. K. Sitch and G. Jungnickel and R.
2901 M. Nieminen and Sami P{\"o}ykk{\"o} and D. Porezag and
2903 journal = "Phys. Rev. B",
2906 pages = "9965--9970",
2910 doi = "10.1103/PhysRevB.57.9965",
2911 publisher = "American Physical Society",
2912 notes = "constrained conjugate gradient relaxation technique
2917 title = "Correlation between the antisite pair and the ${DI}$
2919 author = "A. Gali and P. De\'ak and E. Rauls and N. T. Son and
2920 I. G. Ivanov and F. H. C. Carlsson and E. Janz\'en and
2922 journal = "Phys. Rev. B",
2929 doi = "10.1103/PhysRevB.67.155203",
2930 publisher = "American Physical Society",
2934 title = "Production and recovery of defects in Si{C} after
2935 irradiation and deformation",
2936 journal = "Journal of Nuclear Materials",
2939 pages = "1803--1808",
2943 doi = "DOI: 10.1016/S0022-3115(98)00139-1",
2944 URL = "http://www.sciencedirect.com/science/article/B6TXN-43G486N-47/2/56905f48f025ab98e5de4d6cde09c62b",
2945 author = "J. Chen and P. Jung and H. Klein",
2949 title = "Accumulation, dynamic annealing and thermal recovery
2950 of ion-beam-induced disorder in silicon carbide",
2951 journal = "Nuclear Instruments and Methods in Physics Research
2952 Section B: Beam Interactions with Materials and Atoms",
2959 doi = "DOI: 10.1016/S0168-583X(00)00542-5",
2960 URL = "http://www.sciencedirect.com/science/article/B6TJN-435KH7Y-2R/2/8acc176700c95bb8614d96c40cfc5577",
2961 author = "W. J. Weber and W. Jiang and S. Thevuthasan",
2962 keywords = "Amorphization",
2963 keywords = "Irradiation effects",
2964 keywords = "Thermal recovery",
2965 keywords = "Silicon carbide",
2968 @Article{bockstedte03,
2969 title = "Ab initio study of the migration of intrinsic defects
2971 author = "Michel Bockstedte and Alexander Mattausch and Oleg
2973 journal = "Phys. Rev. B",
2980 doi = "10.1103/PhysRevB.68.205201",
2981 publisher = "American Physical Society",
2982 notes = "defect migration in sic",
2986 title = "Theoretical study of vacancy diffusion and
2987 vacancy-assisted clustering of antisites in Si{C}",
2988 author = "E. Rauls and Th. Frauenheim and A. Gali and P.
2990 journal = "Phys. Rev. B",
2997 doi = "10.1103/PhysRevB.68.155208",
2998 publisher = "American Physical Society",